Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.56183634698391
cohesive_energy=3.9401847031687383
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.015721711904877294
Energy: 0.016200405913210012
Energy: 0.016424581686197
Energy: 0.016200405913210012
Energy: 0.016200405913210012
Energy: 1.7455079354463308
Energy: 0.016200405913820205
Energy: 1.7455079354475869
Energy: 0.016424581685586814
Energy: 0.016200405913820205
Energy: 0.015721711904877294
Energy: 0.016200405913820205
Energy: 0.016200405913210012
Energy: 1.7455079354475869
Energy: 0.016200405913210012
Energy: 1.7455079354475869

minimum gb energy = 0.015721711904877294 eV
minimum distance =  2.40878390519537 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.7699607965867221
Energy: 1.8458206169293696
Energy: 1.5764002630981688
Energy: 1.8458206169293696
Energy: 1.6974641167474864
Energy: 1.834992371933413
Energy: 1.6945852717944707
Energy: 1.834992371933413
Energy: 1.5771342796532077
Energy: 1.8248662361198094
Energy: 1.6920050131856932
Energy: 1.8248662361182422
Energy: 1.6724665281983648
Energy: 1.8622390581096513
Energy: 1.683844904035876
Energy: 1.8622390581088675
Energy: 1.6769488613852925
Energy: 1.846542128253225
Energy: 1.666092566593662
Energy: 1.8465421282524415
Energy: 1.610190308999049
Energy: 1.7943338087070155
Energy: 1.6523891789453258
Energy: 1.7943338087101497
Energy: 1.6972024662552319
Energy: 1.82492474754786
Energy: 1.6121347622011568
Energy: 1.8249247475470765
Energy: 1.5008851851857767
Energy: 1.8463919246598497
Energy: 1.642549264092917
Energy: 1.8463919246598497
Energy: 1.6839551235408852
Energy: 1.6972883887801127
Energy: 1.6858070347740728
Energy: 1.6972883887816799
Energy: 1.6594727595554577
Energy: 1.8244464881178553
Energy: 1.4861611854728005
Energy: 1.8244464881186389
Energy: 1.680590827340395
Energy: 1.797649505223272
Energy: 1.6840700121665717
Energy: 1.7976495052240555
Energy: 1.6532342371333735
Energy: 1.8463013560374568
Energy: 1.6793634340154002
Energy: 1.8463013560374568
Energy: 1.6927602757428188
Energy: 1.8245868321976677
Energy: 1.702089064359782
Energy: 1.8245868321976677
Energy: 1.6943978263171882
Energy: 1.8360223185903213
Energy: 1.67623317089567
Energy: 1.8360223185903213
Energy: 1.5981535804372857
Energy: 1.8463493306656096
Energy: 1.689649593962585
Energy: 1.846349330664826
Energy: 1.5855378410932057
Energy: 1.8456497290755982
Energy: 1.6899070480671219
Energy: 1.8456497290763818
Energy: 1.6929929283752458
Energy: 1.8248287488876187
Energy: 1.5841410704154397
Energy: 1.8248287488876187
Energy: 1.694981312316034
Energy: 1.8251428914527996
Energy: 1.6966824929985198
Energy: 1.825142891453583
Energy: 1.526124840981445
Energy: 1.8458760081270293
Energy: 1.7037798653459246
Energy: 1.8458760081262457
Energy: 1.6948962945623889
Energy: 1.696105802867993
Energy: 1.6864215959539781
Energy: 1.6961058028687765
Energy: 1.6556412244449374
Energy: 1.8246833733738637
Energy: 1.5858092034611342
Energy: 1.8246833733738637
Energy: 1.6844926019796906
Energy: 1.8139876694780988
Energy: 1.6726388195133768
Energy: 1.813987669475748
Energy: 1.675849950306859
Energy: 1.846526232693603
Energy: 1.5888548542701373
Energy: 1.8465262326959537
Energy: 1.6530591656772964
Energy: 1.8254001407807547
Energy: 1.6104817500384
Energy: 1.8254001407799711
Energy: 1.6120052375541067
Energy: 1.793330493560461
Energy: 1.6972504883034658
Energy: 1.793330493560461
Energy: 1.4988051836041643
Energy: 1.8464659012508309
Energy: 1.5009055463911938
Energy: 1.8464659012516145
Energy: 1.6856093594757422
Energy: 1.8346359856454384
Energy: 1.683647228956834
Energy: 1.834635985646222
Energy: 1.4846433803905568
Energy: 1.8246071808756763
Energy: 1.6914136759380927
Energy: 1.8246071808748927
Energy: 1.6935779364074202
Energy: 1.8401186160440053
Energy: 1.673747204662522
Energy: 1.8401186160440053
Energy: 1.7187978471210807
Energy: 1.8458745001702688
Energy: 1.653983520275816
Energy: 1.8458745001694852
Energy: 1.7097582710390111
Energy: 1.834673244787326
Energy: 1.6923073372808826
Energy: 1.8346732447881096
Energy: 1.6544089343159474
Energy: 1.8251738942613933
Energy: 1.6942549407744385
Energy: 1.825173894262177
Energy: 1.6761692280134948
Energy: 1.8614561987290494
Energy: 1.6878165604162838
Energy: 1.8614561987274825

minimum gb energy = 1.4846433803905568 eV
minimum distance =  2.22672161498788 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.8955018076903631
Energy: 1.9880574785206548
Energy: 1.6867987442329146
Energy: 1.9880574785197613
Energy: 1.7913319424472696
Energy: 1.9281201782350241
Energy: 1.7964107493767802
Energy: 1.9281201782394912
Energy: 1.5831095051339112
Energy: 1.987381997339452
Energy: 1.8054080010350138
Energy: 1.9873819973385587
Energy: 1.7804874353772873
Energy: 1.9048342772588103
Energy: 1.7182272226160844
Energy: 1.9048342772614903
Energy: 1.7811874626579864
Energy: 1.9578163010132774
Energy: 1.7813126254764906
Energy: 1.9578163010132774
Energy: 1.804183796953561
Energy: 1.9583438747590822
Energy: 1.737594175481214
Energy: 1.958343874758189
Energy: 1.7812736159182119
Energy: 1.9029307184577002
Energy: 1.804647206714008
Energy: 1.9029307184559137
Energy: 1.5823937149966605
Energy: 1.9881103122247583
Energy: 1.687416640646508
Energy: 1.9881103122176111
Energy: 1.7823153890916692
Energy: 1.8311764488793545
Energy: 1.796690510504638
Energy: 1.8311764488820343
Energy: 1.8199203496840923
Energy: 1.988622108281377
Energy: 1.6873191283928035
Energy: 1.9886221082822706
Energy: 1.7811970124547625
Energy: 1.955542071208442
Energy: 1.8041749276146721
Energy: 1.9555420712102287
Energy: 1.6832468172924038
Energy: 1.9730576187660667
Energy: 1.7078983465639719
Energy: 1.9730576187624929
Energy: 1.8229321301716412
Energy: 1.9570122707217108
Energy: 1.7850391175054272
Energy: 1.9570122707234978
Energy: 1.8229153942038119
Energy: 1.9570960641622188
Energy: 1.6902859045555232
Energy: 1.957096064163112
Energy: 1.6830494473924345
Energy: 1.9729775531687417
Energy: 1.8055908651634889
Energy: 1.9729775531705285
Energy: 1.7811967212762776
Energy: 1.9555987580079555
Energy: 1.8042514828198564
Energy: 1.9555987580061687
Energy: 1.8197191317413224
Energy: 1.9886967645248004
Energy: 1.6305958258125173
Energy: 1.9886967645230138
Energy: 1.7823470160211448
Energy: 1.8311934097592535
Energy: 1.7965190972153653
Energy: 1.8311934097583602
Energy: 1.5823836549727726
Energy: 1.9882428213183085
Energy: 1.7321956431050944
Energy: 1.988242821319202
Energy: 1.7812274284856737
Energy: 1.9029795686268587
Energy: 1.7158708888682475
Energy: 1.902979568625072
Energy: 1.8039904618544411
Energy: 1.9584875302158036
Energy: 1.6815006268723893
Energy: 1.958487530214017
Energy: 1.7811879660045717
Energy: 1.957742267047158
Energy: 1.6867690579077477
Energy: 1.957742267047158
Energy: 1.7804856139782528
Energy: 1.9049207783963342
Energy: 1.804371658240993
Energy: 1.904920778399908
Energy: 1.583012829497849
Energy: 1.987756473578612
Energy: 1.8054992328869264
Energy: 1.987756473578612
Energy: 1.7911708052774102
Energy: 1.9282312904445054
Energy: 1.79628268433774
Energy: 1.9282312904471859
Energy: 1.895501807687683
Energy: 1.9880574785206548
Energy: 1.7757406557304287
Energy: 1.988057478518868
Energy: 1.791331942448163
Energy: 1.9281201782350241
Energy: 1.7964107493776735
Energy: 1.9281201782394912
Energy: 1.5831095051339112
Energy: 1.9873819973385587
Energy: 1.8040366571008146
Energy: 1.9873819973376654
Energy: 1.7804874353781805
Energy: 1.9048342772597036
Energy: 1.7052693322083714
Energy: 1.9048342772614903

minimum gb energy = 1.5823836549727726 eV
minimum distance =  2.20986923023353 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 2.0214828970431165
Energy: 2.1145219175775005
Energy: 1.8186250869876501
Energy: 2.1145219175775005
Energy: 1.8319390242718192
Energy: 2.047295251567448
Energy: 1.9282877407817327
Energy: 2.047295251566409
Energy: 1.6969198410504662
Energy: 2.1624813343008067
Energy: 1.928705871591436
Energy: 2.1624813342997684
Energy: 1.9099715250574327
Energy: 2.093619611730515
Energy: 1.8331751702952217
Energy: 2.093619611730515
Energy: 1.8318850144021122
Energy: 2.1140481628548438
Energy: 1.820085699310182
Energy: 2.1140481628558825
Energy: 1.961841481997657
Energy: 2.1618016082607476
Energy: 1.932403656941625
Energy: 2.1618016082607476
Energy: 1.931729666650269
Energy: 1.940062241006241
Energy: 1.8807933516654018
Energy: 1.940062241006241
Energy: 1.9402089376761618
Energy: 2.1143827024204302
Energy: 1.7277523028290402
Energy: 2.1143827024204302
Energy: 1.8801882158542522
Energy: 2.0449606598555596
Energy: 1.9318240215482583
Energy: 2.0449606598555596
Energy: 1.9281605700085496
Energy: 2.1623180808590288
Energy: 1.8138876421405834
Energy: 2.1623180808590288
Energy: 1.9190861405351003
Energy: 2.1136233451227637
Energy: 1.9275815443629822
Energy: 2.113623345121725
Energy: 1.8336334643636825
Energy: 2.1139741464787805
Energy: 1.9274256600547357
Energy: 2.113974146479819
Energy: 1.928658815874898
Energy: 2.080366061136494
Energy: 1.8143638840545455
Energy: 2.0803660611354555
Energy: 1.8801162520485908
Energy: 1.9594313668472791
Energy: 1.9312134998071402
Energy: 1.9594313668472791
Energy: 1.7518519765892309
Energy: 2.114799255582136
Energy: 1.7257592212615849
Energy: 2.114799255582136
Energy: 1.9283675373572706
Energy: 1.9395710664554
Energy: 1.8324333830635229
Energy: 1.9395710664554
Energy: 1.6964893547534519
Energy: 2.1628676029273675
Energy: 1.6961697108876113
Energy: 2.1628676029263287
Energy: 1.8330460269671982
Energy: 2.1146296868604675
Energy: 1.9097541130040943
Energy: 2.1146296868594288
Energy: 1.8207233865207104
Energy: 2.0813261683984297
Energy: 1.832304285095611
Energy: 2.0813261683994684
Energy: 1.8303910334199394
Energy: 2.1618521536899196
Energy: 1.9317944656692345
Energy: 2.1618521536888813
Energy: 1.9473074873311522
Energy: 2.053284750573274
Energy: 1.931213464793582
Energy: 2.053284750568081
Energy: 1.9681918578898274
Energy: 2.1141788674447
Energy: 1.9244950508872132
Energy: 2.1141788674436612
Energy: 1.9319325115408241
Energy: 2.0558705372910344
Energy: 1.9281241822709025
Energy: 2.0558705372899957
Energy: 1.6972574284194621
Energy: 2.1625560501877326
Energy: 1.9280955756066205
Energy: 2.162556050188771
Energy: 1.9280612583235006
Energy: 2.082046046128845
Energy: 1.8336638171290256
Energy: 2.082046046129883

minimum gb energy = 1.6961697108876113 eV
minimum distance =  2.21298759016462 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 2.189596500603992
Energy: 2.1562755368075233
Energy: 1.9696573047428274
Energy: 2.156275536806285
Energy: 2.0091194107855785
Energy: 2.230032590682775
Energy: 2.06888955385686
Energy: 2.230032590684014
Energy: 1.8217850578366384
Energy: 2.156499712449567
Energy: 1.9740021544970145
Energy: 2.156499712457
Energy: 2.0947264636782523
Energy: 2.3091053250238316
Energy: 1.8773859923602902
Energy: 2.3091053250213536
Energy: 2.145382776243644
Energy: 2.230174622387607
Energy: 1.9735324141760682
Energy: 2.230174622388846
Energy: 1.8200762107956439
Energy: 2.107807397745606
Energy: 1.8638054279531053
Energy: 2.1078073977480836
Energy: 2.0966057186934517
Energy: 1.8779289633345324
Energy: 1.8810973186440691
Energy: 1.8779289633357712
Energy: 1.9697748686251186
Energy: 2.109215379623333
Energy: 1.8649777762657482
Energy: 2.109215379623333
Energy: 2.098301325460491
Energy: 2.2304373880857216
Energy: 2.077990351173442
Energy: 2.23043738808696
Energy: 2.09334130703339
Energy: 2.095948567743194
Energy: 1.8777106949703486
Energy: 2.095948567743194
Energy: 1.9570450446011813
Energy: 2.2642367389809834
Energy: 1.973903037537413
Energy: 2.2642367389809834
Energy: 2.093536109227003
Energy: 2.1329738336122968
Energy: 1.877327190779994
Energy: 2.1329738336122968
Energy: 1.821373236336415
Energy: 2.1566137975028448
Energy: 1.8210130855144586
Energy: 2.1566137975040838
Energy: 1.9633295364722883
Energy: 2.1101396262536545
Energy: 2.0691237289775772
Energy: 2.1101396262548935
Energy: 1.821352456978589
Energy: 2.1565443003657716
Energy: 1.9695976242666382
Energy: 2.1565443003645326
Energy: 2.0934282811531255
Energy: 2.133829978970624
Energy: 1.8774301663808595
Energy: 2.133829978969385
Energy: 1.9570412202785548
Energy: 2.2642150326467094
Energy: 1.9739342411820038
Energy: 2.264215032644231
Energy: 2.0931690089647637
Energy: 2.096096484129556
Energy: 1.8776440143455657
Energy: 2.096096484129556
Energy: 2.098343164795839
Energy: 2.2303656833327112
Energy: 1.9734010350334061
Energy: 2.2303656833327112
Energy: 1.969952291007681
Energy: 2.109481866213829
Energy: 1.864915636682659
Energy: 2.1094818662324126
Energy: 2.096565381282535
Energy: 1.8778944482809599
Energy: 1.8810195890470829
Energy: 1.8778944482809599

minimum gb energy = 1.8200762107956439 eV
minimum distance =  2.28940383480361 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 2.007915870515425
Energy: 2.4410754571254683
Energy: 2.147372169890832
Energy: 2.4410754571254683
Energy: 1.981566822967382
Energy: 2.2587495117040004
Energy: 1.9590725269192903
Energy: 2.2587495117040004
Energy: 1.961445517656511
Energy: 2.0060294934007223
Energy: 1.9589059166616132
Energy: 2.006029493405284
Energy: 2.003530612673132
Energy: 1.9602300071899283
Energy: 2.136936910398662
Energy: 1.960230007188396
Energy: 2.1380948330317744
Energy: 1.9801350246989224
Energy: 2.025257598867304
Energy: 1.9801350246989224
Energy: 1.9594340100709653
Energy: 2.4872356951505323
Energy: 1.9610020379234792
Energy: 2.4872356951505323
Energy: 2.0249593192591955
Energy: 1.9831679078529467
Energy: 1.9589983117187104
Energy: 1.9831679078483502
Energy: 2.136466195995928
Energy: 2.4437173295868364
Energy: 2.002828613238077
Energy: 2.4437173295868364
Energy: 1.959091657959023
Energy: 2.258482747683355
Energy: 1.9809941655926993
Energy: 2.258482747683355
Energy: 2.210887450450155
Energy: 2.026197780448866
Energy: 1.9598173720208742
Energy: 2.0261977804458016
Energy: 2.0387279392902102
Energy: 2.445771973564255
Energy: 2.3074958875619007
Energy: 2.445771973564255
Energy: 1.95938978722561
Energy: 2.0264156939398843
Energy: 2.2110806630743105
Energy: 2.0264156939398843
Energy: 2.1478817197038733
Energy: 2.0044218969857326
Energy: 1.9604847571809108
Energy: 2.0044218969796037
Energy: 1.9588877790246872
Energy: 1.9824837436549985
Energy: 2.00383733685659
Energy: 1.9824837436473726
Energy: 2.025693952643406
Energy: 2.444082294537482
Energy: 2.1391239536258193
Energy: 2.4440822945390135
Energy: 1.9809978246457507
Energy: 2.086026457438718
Energy: 1.9595333796224588
Energy: 2.0860264574432796
Energy: 1.9593429408102794
Energy: 2.121233666672751
Energy: 2.2119324209704825
Energy: 2.121233666674283

minimum gb energy = 1.9588877790246872 eV
minimum distance =  2.27435001011797 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 2.2789446161986544
Energy: 2.2736990869167513
Energy: 2.4047663405715776
Energy: 2.2736990869150153
Energy: 2.2017344153654297
Energy: 2.140640674083585
Energy: 2.0171023141476945
Energy: 2.140640674082717
Energy: 2.186517212942759
Energy: 2.152380835007033
Energy: 2.016693883751751
Energy: 2.1523808350052978
Energy: 2.0211177132554963
Energy: 2.0401223908415034
Energy: 2.1364557335709726
Energy: 2.0401223908371646
Energy: 2.2388747553171866
Energy: 2.1531856757889245
Energy: 2.0606413802880676
Energy: 2.1531856757889245
Energy: 2.041379047828021
Energy: 2.0817232845368183
Energy: 2.168954423217437
Energy: 2.0817232845368183
Energy: 2.017519605460845
Energy: 2.137226227012843
Energy: 2.01685261605098
Energy: 2.1372262270137106
Energy: 2.1715591332796413
Energy: 2.0374206342248806
Energy: 2.0339149890198884
Energy: 2.0374206342326904
Energy: 2.0343817340968844
Energy: 2.217886286158288
Energy: 2.2395064907410056
Energy: 2.2178862861574205
Energy: 2.349352676912313
Energy: 2.1106347761146744
Energy: 2.017473624289544
Energy: 2.1106347761155417
Energy: 2.0258824134007494
Energy: 2.037684483392901
Energy: 2.192475060199667
Energy: 2.0376844833859593
Energy: 2.034247387772477
Energy: 2.137028111298326
Energy: 2.0338688703498784
Energy: 2.1370281112974583
Energy: 2.191603409657917
Energy: 2.039274597129892
Energy: 2.032768531965566
Energy: 2.039274597121215
Energy: 2.017128072820039
Energy: 2.2378748411499187
Energy: 2.200902493672364
Energy: 2.237874841152522
Energy: 2.1623388119604487
Energy: 2.1367610320909907
Energy: 2.035038281773569
Energy: 2.136761032091859
Energy: 2.1836862507614256
Energy: 2.03807135375056
Energy: 2.1715602399672185
Energy: 2.0380713537514277
Energy: 2.0171754914479867
Energy: 2.191630920620965
Energy: 2.3538287528361486
Energy: 2.191630920620965
Energy: 2.21890392436769
Energy: 2.0256373186193377
Energy: 2.0410538963429015
Energy: 2.0256373186158667
Energy: 2.0165363640532847
Energy: 2.139996341465882
Energy: 2.1576947677621865
Energy: 2.139996341468485
Energy: 2.0165837269581735
Energy: 2.0393199626667973
Energy: 2.0219533624273685
Energy: 2.03931996266593
Energy: 2.0949019142157397
Energy: 2.021039641402108
Energy: 2.1859403673529227
Energy: 2.0210396414177274
Energy: 2.0172319761495694
Energy: 2.246296941848963
Energy: 2.3532618222556385
Energy: 2.246296941847228
Energy: 2.251250248593274
Energy: 2.0401984509808817
Energy: 2.0188839801929674
Energy: 2.0401984509774107
Energy: 2.033071318572008
Energy: 2.136917190578293
Energy: 2.1884935671541337
Energy: 2.1369171905791604
Energy: 2.0325633938758294
Energy: 2.1540689062653655
Energy: 2.186917185214741
Energy: 2.154068906267101
Energy: 2.2147142951820644
Energy: 2.0415703624531707
Energy: 2.02061019143054
Energy: 2.0415703625051957
Energy: 2.0603843669008843
Energy: 2.2456073327948136
Energy: 2.403748099659513
Energy: 2.2456073327826656
Energy: 2.1688471538174627
Energy: 2.0849168294829634
Energy: 2.188074591368572
Energy: 2.0849168294820957
Energy: 2.330126955141147
Energy: 2.238641518350389
Energy: 2.017500198997986
Energy: 2.238641518349522
Energy: 2.033704045934876
Energy: 2.2162547644716932
Energy: 2.219764423023884
Energy: 2.2162547644673545

minimum gb energy = 2.0165363640532847 eV
minimum distance =  2.26862567428545 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.9843595069207227
Energy: 1.9813821505438067
Energy: 2.3161503474781715
Energy: 1.981382150541809
Energy: 2.2690294367046455
Energy: 2.1199113537386984
Energy: 2.0047073100094677
Energy: 2.1199113537386984
Energy: 1.9857827996286004
Energy: 1.980815972689289
Energy: 2.2658806355726133
Energy: 1.980815972689289
Energy: 1.9860003431849154
Energy: 1.9808700179591445
Energy: 2.1304937053180915
Energy: 1.9808700179551493
Energy: 2.2691077961133606
Energy: 2.1199088532466757
Energy: 2.005771619661897
Energy: 2.1199088532466757
Energy: 1.9843595069207227
Energy: 1.981382150541809
Energy: 2.4590262039647612
Energy: 1.981382150541809
Energy: 2.2690294367046455
Energy: 2.1199113537386984
Energy: 2.130185164107039
Energy: 2.1199113537386984
Energy: 1.9857827996305981
Energy: 1.980815972689289
Energy: 2.2658806355945873
Energy: 1.980815972689289
Energy: 1.9860003431849154
Energy: 1.9808700179571468
Energy: 2.226085763914463
Energy: 1.9808700179571468
Energy: 2.2691077961133606
Energy: 2.1199088532466757
Energy: 2.1292026762791676
Energy: 2.119908853248673
Energy: 1.9843595069207227
Energy: 1.981382150541809
Energy: 2.459026230120768
Energy: 1.981382150541809
Energy: 2.2690294367046455
Energy: 2.1199113537386984
Energy: 2.225477693611314
Energy: 2.1199113537386984
Energy: 1.9857827996286004
Energy: 1.980815972689289
Energy: 2.2658806355666203
Energy: 1.980815972689289

minimum gb energy = 1.980815972689289 eV
minimum distance =  2.26119490116228 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 2.22852492756688
Energy: 2.312185676492674
Energy: 2.580977374918487
Energy: 2.312185676491195
Energy: 2.3504071069789676
Energy: 2.198965077435164
Energy: 2.0804651152118785
Energy: 2.1989650774336846
Energy: 2.0737801202408033
Energy: 2.115157310779169
Energy: 2.102742746829078
Energy: 2.115157310779169
Energy: 2.22828551192403
Energy: 2.379403467012661
Energy: 2.1189498890469642
Energy: 2.3794034670119215
Energy: 2.387328592537923
Energy: 2.218788433382636
Energy: 2.093988137586676
Energy: 2.2187884333833754
Energy: 2.1641207207778845
Energy: 2.163106545986749
Energy: 2.218089261556404
Energy: 2.1631065459786156
Energy: 2.5445933885740137
Energy: 2.2131235860063683
Energy: 2.0922426490664168
Energy: 2.213123585996757
Energy: 2.086021650196422
Energy: 2.343680521407202
Energy: 2.218172393094027
Energy: 2.343680521407202
Energy: 2.0776757726151236
Energy: 2.4014203147314626
Energy: 2.1578345052570866
Energy: 2.401420314732202
Energy: 2.116580940249842
Energy: 2.1947187362506035
Energy: 2.1356510657987786
Energy: 2.1947187362550395
Energy: 2.1023759151536527
Energy: 2.24311673168927
Energy: 2.4129011343349553
Energy: 2.243116731687792
Energy: 2.278338355050986
Energy: 2.263018409829426
Energy: 2.0814385241722815
Energy: 2.2630184098338626
Energy: 2.087925307345244
Energy: 2.206509757341078
Energy: 2.3858819441677652
Energy: 2.206509757341078
Energy: 2.2357760328331615
Energy: 2.2471555538566044
Energy: 2.142907439825553
Energy: 2.247155553866955
Energy: 2.089750816524973
Energy: 2.2361933849368927
Energy: 2.2520254808704383
Energy: 2.2361933849346745
Energy: 2.09205933148678
Energy: 2.3980711541247985
Energy: 2.190310924428513
Energy: 2.3980711541247985
Energy: 2.1877848482741813
Energy: 2.309576143648221
Energy: 2.089121552109675
Energy: 2.309576143645264
Energy: 2.1063052935834055
Energy: 2.2130007893613075
Energy: 2.3860405976072645
Energy: 2.2130007893605677
Energy: 2.290594064864864
Energy: 2.2240488487304573
Energy: 2.161806833731746
Energy: 2.224048848728239
Energy: 2.0824309371841467
Energy: 2.2155975298981883
Energy: 2.2433080894960717
Energy: 2.2155975298945583
Energy: 2.1892716236699807
Energy: 2.3742792697335235
Energy: 2.195793542138698
Energy: 2.374279269731305
Energy: 2.2118659913919303
Energy: 2.1604552668782797
Energy: 2.075088280076033
Energy: 2.160455263086226
Energy: 2.157107555027302
Energy: 2.2517412214176282
Energy: 2.1190347236607048
Energy: 2.2517412214205854
Energy: 2.4229372191461094
Energy: 2.247207581261949
Energy: 2.099934423455043
Energy: 2.247207581258252
Energy: 2.0936605010203255
Energy: 2.258640177437671
Energy: 2.471603480183034
Energy: 2.258640177445804
Energy: 2.108882973895473
Energy: 2.1146625183051797
Energy: 2.0859162195078964
Energy: 2.1146625183029615
Energy: 2.2223013863977754
Energy: 2.4097995029287893
Energy: 2.227356436132179
Energy: 2.4097995029302677
Energy: 2.1488914141169344
Energy: 2.3422845412103057
Energy: 2.2282034386748806
Energy: 2.342284541207348
Energy: 2.1662658732087356
Energy: 2.1144053669420253
Energy: 2.0851057070505985
Energy: 2.1144053669441765
Energy: 2.0810398311557585
Energy: 2.275227434341571
Energy: 2.4341601384862552
Energy: 2.2752274343326984
Energy: 2.3238069181782928
Energy: 2.313706875395826
Energy: 2.0990926434725115
Energy: 2.3137068754010013
Energy: 2.1252221503105218
Energy: 2.243336312131909
Energy: 2.116145953154639
Energy: 2.2433363121341268
Energy: 2.1403843547036625
Energy: 2.2880138744462113
Energy: 2.0737561606663157
Energy: 2.288013874445472
Energy: 2.189197153043539
Energy: 2.372118458208056
Energy: 2.1927761268434804
Energy: 2.372118458208056
Energy: 2.082532863579149
Energy: 2.4096174068270533
Energy: 2.5434309932831853
Energy: 2.4096174068255745

minimum gb energy = 2.0737561606663157 eV
minimum distance =  2.22442012292836 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 2.138903377637252
Energy: 2.1318260371272393
Energy: 2.498848408512639
Energy: 2.1318260371272393
Energy: 2.1385363477531176
Energy: 2.277839228411373
Energy: 2.084811860708029
Energy: 2.2778392284102
Energy: 2.09036686248136
Energy: 2.467533034239951
Energy: 2.089100478688177
Energy: 2.467533034239951
Energy: 2.066931899046326
Energy: 2.276673898283874
Energy: 2.085203344302013
Energy: 2.276673898283874
Energy: 2.0647182435648967
Energy: 2.272729393933939
Energy: 2.089535502479306
Energy: 2.272729393932766
Energy: 2.0876595617493168
Energy: 2.0869345309760163
Energy: 2.4243169221572023
Energy: 2.086934530983055
Energy: 2.5572061290036974
Energy: 2.46625281901091
Energy: 2.0864367974548292
Energy: 2.466252819009737
Energy: 2.0664231535473023
Energy: 2.132043277536912
Energy: 2.476208364258779
Energy: 2.132043277536912
Energy: 2.4456471876612405
Energy: 2.1310496613424026
Energy: 2.087714223941908
Energy: 2.1310496613412298
Energy: 2.0885212743849086
Energy: 2.235259851840639
Energy: 2.0875756141313486
Energy: 2.2352598518418123
Energy: 2.062448727240948
Energy: 2.1292217368729505
Energy: 2.445532644223214
Energy: 2.1292217368729505
Energy: 2.3243230601464995
Energy: 2.2760997832790255
Energy: 2.0666112146340585
Energy: 2.2760997832813716
Energy: 2.0870419479655693
Energy: 2.25631323491079
Energy: 2.4091041531611417
Energy: 2.25631323491079
Energy: 2.5091592222058514
Energy: 2.2374970376842955
Energy: 2.090512774139827
Energy: 2.2374970376842955
Energy: 2.062783614070284
Energy: 2.173890975318956
Energy: 2.3205711318258295
Energy: 2.173890975320129
Energy: 2.4457744684987266
Energy: 2.1325963054764543
Energy: 2.0669084025182567
Energy: 2.1325963054764543
Energy: 2.0862447652653993
Energy: 2.08695812728525
Energy: 2.0905065616477057
Energy: 2.0869581272864233
Energy: 2.08473429808779
Energy: 2.0867820917965654
Energy: 2.0907384688942487
Energy: 2.0867820917977387
Energy: 2.2756402707578274
Energy: 2.131631856004553
Energy: 2.0637713758343907
Energy: 2.131631856004553
Energy: 2.084889382566653
Energy: 2.1751604699485245
Energy: 2.5570978855154145
Energy: 2.1751604699508706
Energy: 2.507792308230246
Energy: 2.0950089659828173
Energy: 2.0899662512234016
Energy: 2.0950089659828173
Energy: 2.0847761787505186
Energy: 2.2567520454822674
Energy: 2.409503942019668
Energy: 2.2567520454822674

minimum gb energy = 2.062448727240948 eV
minimum distance =  2.22594584441448 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 2.2820284826649364
Energy: 2.2743510990781663
Energy: 2.458049350377016
Energy: 2.2743510990781663
Energy: 2.4585321625457115
Energy: 2.242622656204708
Energy: 2.125549115384253
Energy: 2.242622656205537
Energy: 2.1009366792854047
Energy: 2.1692725616773636
Energy: 2.1282660721244553
Energy: 2.1692725616773636
Energy: 2.105331275079098
Energy: 2.342286519971402
Energy: 2.1391844049679745
Energy: 2.3422865199697425
Energy: 2.111192986138623
Energy: 2.2468547735457642
Energy: 2.128396758282503
Energy: 2.2468547735474234
Energy: 2.12111324800167
Energy: 2.1696105442162756
Energy: 2.319117057009932
Energy: 2.1696105442179348
Energy: 2.3290901369024555
Energy: 2.3262155480932467
Energy: 2.1188166437375693
Energy: 2.3262155480915876
Energy: 2.120749190321301
Energy: 2.170203734746656
Energy: 2.486553196243486
Energy: 2.170203734746656
Energy: 2.316385004466834
Energy: 2.3209191333719392
Energy: 2.1483026139848875
Energy: 2.3209191333744275
Energy: 2.1014774474758293
Energy: 2.2728517365738714
Energy: 2.3636936989711512
Energy: 2.2728517365722123
Energy: 2.1134950217364095
Energy: 2.4151367320808346
Energy: 2.118224774725936
Energy: 2.4151367320791755
Energy: 2.1371638103886386
Energy: 2.3157550235972577
Energy: 2.1094289753002253
Energy: 2.315755023598087
Energy: 2.127898849881122
Energy: 2.214628544651813
Energy: 2.114377047553177
Energy: 2.214628544657619
Energy: 2.1409679072762287
Energy: 2.1533705080881207
Energy: 2.114137364042912
Energy: 2.1533705080881207
Energy: 2.1001401946234277
Energy: 2.3878389466084635
Energy: 2.3941559220357815
Energy: 2.387838946607634
Energy: 2.375542924313693
Energy: 2.2551137121725064
Energy: 2.1476850558777563
Energy: 2.2551137121749947
Energy: 2.115522633059926
Energy: 2.267575103624103
Energy: 2.2358348235293812
Energy: 2.2675751036282508
Energy: 2.1284541158353028
Energy: 2.1325494275267527
Energy: 2.1091482019507053
Energy: 2.132549427525923
Energy: 2.1162769547485953
Energy: 2.4166995393718986
Energy: 2.113926798065891
Energy: 2.4166995393718986
Energy: 2.112333008223669
Energy: 2.2623098711999097
Energy: 2.1888245287258177
Energy: 2.2623098712007397
Energy: 2.1122537421289644
Energy: 2.4148942953603876
Energy: 2.148456221195198
Energy: 2.414894295362876
Energy: 2.1012382721130978
Energy: 2.1698431799917435
Energy: 2.2951039733779073
Energy: 2.169843179990085
Energy: 2.5157928261537696
Energy: 2.186394275937358
Energy: 2.1188425405245397
Energy: 2.186394275920768
Energy: 2.212919454611149
Energy: 2.2151446047178096
Energy: 2.3906108147941025
Energy: 2.215144604728593
Energy: 2.220645671601818
Energy: 2.2473282007714523
Energy: 2.117710474723275
Energy: 2.247328200770623
Energy: 2.106003151097423
Energy: 2.409277521667513
Energy: 2.121556551816713
Energy: 2.4092775216650244
Energy: 2.1012563645847813
Energy: 2.3413624599686083
Energy: 2.137019590226322
Energy: 2.3413624599677787
Energy: 2.1760518349995794
Energy: 2.2475563538301184
Energy: 2.139867139492673
Energy: 2.2475563538268
Energy: 2.1202496399520143
Energy: 2.1700707795513763
Energy: 2.1916798194378755
Energy: 2.170070779550547
Energy: 2.627202470698026
Energy: 2.149545329394428
Energy: 2.125781072598957
Energy: 2.1495453293935984
Energy: 2.120356632446619
Energy: 2.170189734533332
Energy: 2.2258147240902515
Energy: 2.170189734534991

minimum gb energy = 2.1001401946234277 eV
minimum distance =  2.21380240211293 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 2.102935094846063
Energy: 2.048530350876625
Energy: 2.036087583073821
Energy: 2.0485303508760473
Energy: 2.037949965135564
Energy: 2.0901952493511673
Energy: 2.090178207895469
Energy: 2.0901952493505895
Energy: 2.0361121347393496
Energy: 2.227051840900309
Energy: 2.0333042249917694
Energy: 2.2270518409014644
Energy: 2.096858804924842
Energy: 2.0361651108252485
Energy: 2.0897724901257444
Energy: 2.036165110824125
Energy: 2.103217182270212
Energy: 2.16762856440377
Energy: 2.033049094148504
Energy: 2.1676285644040583
Energy: 2.034540279713931
Energy: 2.2303630200329194
Energy: 2.0345739324460697
Energy: 2.2303630200329194
Energy: 2.035987727539962
Energy: 2.167614005017583
Energy: 2.1032260485023446
Energy: 2.167614005017294
Energy: 2.08995870166797
Energy: 2.036077639734812
Energy: 2.0970811014848874
Energy: 2.0360776397390494
Energy: 2.0331131573865666
Energy: 2.226799315198104
Energy: 2.035654656870267
Energy: 2.226799315199516

minimum gb energy = 2.033049094148504 eV
minimum distance =  2.24752363128195 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.9700244159941367
Energy: 2.0020537769418243
Energy: 2.2564446958768123
Energy: 2.002053776941041
Energy: 2.275510944448177
Energy: 2.0909946918827633
Energy: 1.8959244431655868
Energy: 2.0909946918819795
Energy: 1.8946647178655331
Energy: 1.9774208216738607
Energy: 2.294096923935522
Energy: 1.9774208216738607
Energy: 1.8839782554440934
Energy: 2.0715870010652657
Energy: 1.9268041739269268
Energy: 2.0715870010652657
Energy: 1.9280604090877551
Energy: 2.0840720439855613
Energy: 2.278870847432039
Energy: 2.0840720439839946
Energy: 1.968766832125726
Energy: 2.0062652800580074
Energy: 1.89593254925821
Energy: 2.0062652800580074
Energy: 1.8954453174879773
Energy: 2.0840806064311375
Energy: 1.8967225895224455
Energy: 2.0840806064319213
Energy: 1.8961429173388427
Energy: 2.0092593180247342
Energy: 1.8968842976183993
Energy: 2.0092593180239504
Energy: 1.9288564382654276
Energy: 2.084565522888761
Energy: 1.916032037655046
Energy: 2.0845655228879774
Energy: 1.9274317692952951
Energy: 2.08626112880136
Energy: 1.8823516343909161
Energy: 2.0862611288021435
Energy: 1.914636824897826
Energy: 2.0726019609061983
Energy: 1.8956581976088023
Energy: 2.072601960905415
Energy: 1.8954042815741643
Energy: 2.107199998965712
Energy: 2.011685228658149
Energy: 2.107199998965712
Energy: 1.9688686278723537
Energy: 2.003767947144253
Energy: 1.9884204542870285
Energy: 2.003767947142686
Energy: 1.9272956221914006
Energy: 2.0024164572713987
Energy: 1.9690024387833187
Energy: 2.0024164572761003
Energy: 2.3149443151742752
Energy: 2.0697498135552372
Energy: 1.8952660405139488
Energy: 2.069749813556021
Energy: 1.9247907936355648
Energy: 1.9771507564598954
Energy: 1.9252540180539364
Energy: 1.9771507564598954
Energy: 2.2789231948606856
Energy: 1.961732911188316
Energy: 1.9112325671637826
Energy: 1.9617329111898831
Energy: 1.9275979512152939
Energy: 2.0032228629483306
Energy: 2.04694068744139
Energy: 2.0032228629483306
Energy: 1.9120701431468292
Energy: 2.088282423206356
Energy: 1.8955045804926873
Energy: 2.088282423207923
Energy: 1.8953501008891422
Energy: 2.1059641118808012
Energy: 1.961733185981106
Energy: 2.1059641118808012
Energy: 1.8826852559818832
Energy: 2.0689535199456537
Energy: 1.927187318581302
Energy: 2.06895351994487
Energy: 1.9288385742365175
Energy: 2.0836142969763607
Energy: 1.9291931576502888
Energy: 2.083614296975577
Energy: 1.8968017554999057
Energy: 2.006297945424562
Energy: 1.8822529668492762
Energy: 2.0062979454229954
Energy: 2.0349794841619424
Energy: 2.0089220334442355
Energy: 1.8956982196905467
Energy: 2.0089220334426683
Energy: 2.0188153053452513
Energy: 1.9847185421693103
Energy: 1.8984581198117
Energy: 1.9847185421685267
Energy: 1.9766559576022393
Energy: 2.0028334180007965
Energy: 1.9278507157386404
Energy: 2.00283341800158
Energy: 1.9107752557791895
Energy: 2.0525827492318767
Energy: 1.9524187949592204
Energy: 2.05258274923266
Energy: 1.9703122040968257
Energy: 2.075121095148479
Energy: 1.9248285851069757
Energy: 2.0751210951516135
Energy: 1.8958729450899914
Energy: 2.088163673735378
Energy: 2.295245073671991
Energy: 2.088163673736945
Energy: 2.190753494530464
Energy: 2.002861668194546
Energy: 1.9274195678807824
Energy: 2.00286166819533
Energy: 1.9112175131877995
Energy: 1.948445238545374
Energy: 2.1908479582673603
Energy: 1.9484452385461577
Energy: 2.2754667158737742
Energy: 2.0045283024939575
Energy: 1.8954983336322904
Energy: 2.0045283024939575
Energy: 1.926218013069261
Energy: 2.0734139698296197
Energy: 1.8838611293777159
Energy: 2.073413969825702

minimum gb energy = 1.8822529668492762 eV
minimum distance =  2.23140237273426 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.9190501819056844
Energy: 1.9140283645295249
Energy: 1.81929348555638
Energy: 1.9140283645306084
Energy: 1.9029871964284408
Energy: 1.933597082056964
Energy: 1.8248868542881633
Energy: 1.9335970820547972
Energy: 1.775367331340506
Energy: 1.9135372596235474
Energy: 2.6050374087811337
Energy: 1.9135372596267972
Energy: 1.8514299327628327
Energy: 2.008858071145935
Energy: 1.8271263647330402
Energy: 2.008858071144852
Energy: 1.7760802998674272
Energy: 2.0841038495485478
Energy: 2.3139062462877416
Energy: 2.0841038495485478
Energy: 1.7772082402761902
Energy: 1.9226753312671823
Energy: 1.828532053621913
Energy: 1.9226753312660987
Energy: 1.7763466020569678
Energy: 2.084632982956841
Energy: 1.8479786567851897
Energy: 2.0846329829557577
Energy: 1.77702507102832
Energy: 1.9246645607463408
Energy: 1.8470311365823688
Energy: 1.9246645607452575
Energy: 1.9142487615027972
Energy: 1.9102813150686972
Energy: 1.8476241687841664
Energy: 1.9102813150697806
Energy: 1.9142091910436676
Energy: 1.910415684909948
Energy: 1.8476082945582701
Energy: 1.9104156849110314
Energy: 1.777020892298541
Energy: 1.9246708868305094
Energy: 1.8468656235288226
Energy: 1.9246708868305094
Energy: 1.7763481716692102
Energy: 2.0844242348808524
Energy: 1.8481711343278013
Energy: 2.084424234883019
Energy: 1.7773804375540723
Energy: 1.9226385706079485
Energy: 1.8280495357023059
Energy: 1.922638570606865
Energy: 1.7760705430102623
Energy: 2.083814215357379
Energy: 2.135276603373607
Energy: 2.083814215357379
Energy: 1.8511447267495238
Energy: 2.009040920302861
Energy: 1.827979207441034
Energy: 2.0090409203039443
Energy: 1.7753632372642991
Energy: 1.913570648271893
Energy: 1.8479782656334378
Energy: 1.9135706482708095
Energy: 1.9030586975840158
Energy: 1.9335725168113072
Energy: 1.8248610895074735
Energy: 1.9335725168091404
Energy: 1.9190501819056844
Energy: 1.9140283645306084
Energy: 1.848950795654146
Energy: 1.914028364531692
Energy: 1.9029871964165725
Energy: 1.933597082056964
Energy: 1.8248868542892465
Energy: 1.9335970820547972
Energy: 1.7753673313394227
Energy: 1.9135372596246305
Energy: 2.605037408778967
Energy: 1.9135372596267972
Energy: 1.8514299327628327
Energy: 2.008858071145935
Energy: 1.8271263647341236
Energy: 2.008858071145935
Energy: 1.7760802998674272
Energy: 2.0841038495485478
Energy: 2.3139062462866584
Energy: 2.0841038495485478
Energy: 1.7772082402761902
Energy: 1.9226753312671823
Energy: 1.8285320536229963
Energy: 1.9226753312660987
Energy: 1.7763466020569678
Energy: 2.084632982956841
Energy: 1.8479786567851897
Energy: 2.0846329829546746

minimum gb energy = 1.7753632372642991 eV
minimum distance =  2.23853634517226 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 2.07171578522576
Energy: 1.8588335917160415
Energy: 2.342316832304827
Energy: 1.8588335917160415
Energy: 2.2806412540638443
Energy: 1.8129215064842135
Energy: 1.7775878459633225
Energy: 1.8129215064828743
Energy: 1.7862508263156505
Energy: 1.8357548189234159
Energy: 2.356441501021652
Energy: 1.8357548189260946
Energy: 1.9613936622641959
Energy: 1.79695655575735
Energy: 1.8011635108566952
Energy: 1.796956555762707
Energy: 1.7563746610887725
Energy: 1.9752024963069186
Energy: 2.1378482547909896
Energy: 1.9752024963008916
Energy: 1.7441097253123865
Energy: 2.172935956401269
Energy: 1.8356568387884522
Energy: 2.1729359564039474
Energy: 1.7791195624000846
Energy: 1.9345512205653843
Energy: 1.989857378309777
Energy: 1.9345512205680626
Energy: 1.7617699886785498
Energy: 2.1927253477042314
Energy: 1.7618529363859858
Energy: 2.192725347705571
Energy: 2.0097820911730016
Energy: 1.8252092416359145
Energy: 1.812655331793633
Energy: 1.8252092416232526
Energy: 2.000135807416242
Energy: 1.9136599287993508
Energy: 1.7787570579832073
Energy: 1.913659928796003
Energy: 1.8081317269770971
Energy: 2.1473384399369038
Energy: 1.7554409078127
Energy: 2.1473384399355644
Energy: 1.8088483395218473
Energy: 1.924960584987958
Energy: 1.7805351796220668
Energy: 1.9249605849846099
Energy: 1.7476050216464423
Energy: 2.1735692707414276
Energy: 1.7859308204644926
Energy: 2.173569270748124
Energy: 1.7568756171831519
Energy: 1.9739021184956491
Energy: 2.0186888841378687
Energy: 1.9739021184909618
Energy: 1.7558145549870257
Energy: 1.9065724288475414
Energy: 1.877277278546484
Energy: 1.9065724288495507
Energy: 1.779168642063884
Energy: 1.836439278675419
Energy: 2.0985261740454395
Energy: 1.836439278677428
Energy: 1.9440484340971433
Energy: 1.7888276758393298
Energy: 1.7852785520637293
Energy: 1.7888276758413386
Energy: 1.7988271551466162
Energy: 1.8639530269959355
Energy: 1.9396096067073205
Energy: 1.8639530269966051
Energy: 1.9890272666904887
Energy: 1.9309832016314683
Energy: 1.7784688046591501
Energy: 1.9309832016354864
Energy: 1.8333506076534511
Energy: 1.8282084885624403
Energy: 1.98398133889981
Energy: 1.828208488557753
Energy: 2.2971855166411146
Energy: 1.818745476775225
Energy: 1.7755818473739546
Energy: 1.818745476767859
Energy: 1.7750033046061167
Energy: 1.9213887334784485
Energy: 1.787600891954701
Energy: 1.921388733479788
Energy: 1.7903633711322833
Energy: 1.8036688470416287
Energy: 1.8334750344732564
Energy: 1.8036688470382805
Energy: 1.7791686851591422
Energy: 1.943402882455241
Energy: 2.2791736676754826
Energy: 1.9434028824579197
Energy: 1.7978551999797112
Energy: 1.8648207238909282
Energy: 1.7999604277905175
Energy: 1.86482072388965
Energy: 1.7848723170099956
Energy: 1.97337063064643
Energy: 1.9545408496995864
Energy: 1.9733706306417427
Energy: 2.116691061342844
Energy: 1.8956871278405842
Energy: 1.778989273387623
Energy: 1.8956871278385754
Energy: 2.0240428348341655
Energy: 2.3824371815049514
Energy: 1.7555945243170146
Energy: 2.3824371814989855
Energy: 2.022087929906367
Energy: 1.9737550414171685
Energy: 1.7567981888978903
Energy: 1.9737550414211864
Energy: 1.7857269948652026
Energy: 1.896587652080874
Energy: 1.8094086405969012
Energy: 1.896587652093597
Energy: 1.783281900179358
Energy: 1.973631216964955
Energy: 1.8091642935239844
Energy: 1.9736312169582588
Energy: 1.7551314665864433
Energy: 2.14908769878756
Energy: 1.8057969079442489
Energy: 2.1490876987902383
Energy: 1.7791890366709335
Energy: 1.9049768181504476
Energy: 2.1380831252197035
Energy: 1.9049768181517868
Energy: 1.8214076134444095
Energy: 1.943607581463844
Energy: 1.8394781308081694
Energy: 1.9436075814611655
Energy: 1.761587608899273
Energy: 1.8653361352055875
Energy: 1.790776107536158
Energy: 1.8653361352069266
Energy: 1.9884343969236253
Energy: 1.9434108421201268
Energy: 1.7791709884119893
Energy: 1.9434108421147698
Energy: 1.8336413422318505
Energy: 1.8024621455585714
Energy: 1.7449335485052782
Energy: 1.802462145551875
Energy: 1.818227728104298
Energy: 1.9530298436958282
Energy: 1.775304823838606
Energy: 1.9530298436944888

minimum gb energy = 1.7441097253123865 eV
minimum distance =  2.2253268417571 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.6551977921164482
Energy: 1.6519920903022298
Energy: 2.519423414336441
Energy: 1.6519920903039822
Energy: 1.6521253188120595
Energy: 1.7179899337955515
Energy: 1.6519443543772336
Energy: 1.7179899337955515
Energy: 1.6644102004751165
Energy: 1.9563259418947823
Energy: 2.5212883338587604
Energy: 1.9563259418947823
Energy: 1.6265502657982773
Energy: 1.7178209214548552
Energy: 1.6523116050677704
Energy: 1.7178209214548552
Energy: 1.6544361395267255
Energy: 1.8051983316511933
Energy: 1.6555383824224077
Energy: 1.8051983316511933
Energy: 1.6521127938906996
Energy: 1.6546648951226628
Energy: 1.6607504315042898
Energy: 1.6546648951226628
Energy: 1.6650083450433026
Energy: 1.9555255232177298
Energy: 1.652153402636025
Energy: 1.9555255232177298
Energy: 1.614500861877321
Energy: 1.9571314430262248
Energy: 1.6518728894943362
Energy: 1.9571314430192164
Energy: 1.6548156632957065
Energy: 1.811377369234229
Energy: 1.6247805029243438
Energy: 1.811377369234229
Energy: 1.7185020603489716
Energy: 1.8029740238244678
Energy: 1.6513645432932111
Energy: 1.8029740238262197
Energy: 1.651555462620254
Energy: 1.7197887372084637
Energy: 1.6549689691845926
Energy: 1.7197887372084637
Energy: 1.65180012019763
Energy: 1.954443580486327
Energy: 1.6523083944394095
Energy: 1.954443580486327
Energy: 1.655415168916598
Energy: 1.660113721052679
Energy: 1.6111009095093463
Energy: 1.6601137210509274
Energy: 1.6516893352669157
Energy: 1.807574295867192
Energy: 1.6516086623514425
Energy: 1.807574295867192
Energy: 1.6252905753269558
Energy: 1.6601334854665832
Energy: 1.6551375967916488
Energy: 1.6601334854665832

minimum gb energy = 1.6111009095093463 eV
minimum distance =  2.25330389098549 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.5958050702591329
Energy: 1.5282479639153936
Energy: 1.9205939001501544
Energy: 1.528247963918331
Energy: 1.911063791971757
Energy: 1.5713866435290833
Energy: 1.495633045673154
Energy: 1.571386643526146
Energy: 1.530503830131239
Energy: 1.5287878082335353
Energy: 2.28354765151904
Energy: 1.5287878082261916
Energy: 1.5270519660729378
Energy: 1.5712904666356484
Energy: 1.4952574430569507
Energy: 1.5712904666356484
Energy: 1.53109363155977
Energy: 1.64630455923772
Energy: 1.5311869529748412
Energy: 1.6463045592443293
Energy: 1.49746233769687
Energy: 1.5721421309185162
Energy: 1.5521327027307235
Energy: 1.57214213091411
Energy: 1.5306361921822647
Energy: 1.648177622280005
Energy: 1.5609907519465664
Energy: 1.6481776222741302
Energy: 1.4782264765347037
Energy: 1.5712970165148081
Energy: 1.552413928176197
Energy: 1.5712970165192144
Energy: 1.5312828452789093
Energy: 1.648554535982703
Energy: 1.873307683783572
Energy: 1.6485545359893123
Energy: 1.9219888766296231
Energy: 1.6855848226653039
Energy: 1.4952852488336164
Energy: 1.6855848226616321
Energy: 1.5309486283337252
Energy: 1.682183027457696
Energy: 1.498724682427546
Energy: 1.6821830274650398
Energy: 1.5506545954070827
Energy: 1.686055140024576
Energy: 1.496035894489677
Energy: 1.6860551400209043
Energy: 1.6080710555223308
Energy: 1.5588729379805888
Energy: 1.4983596514863113
Energy: 1.5588729379835262
Energy: 2.223472353606405
Energy: 1.685014858065278
Energy: 1.4966079776674548
Energy: 1.6850148580682154
Energy: 1.5312660345633948
Energy: 1.528059318459305
Energy: 1.4986765781495455
Energy: 1.528059318457102
Energy: 1.518404938280798
Energy: 1.6853507691675824
Energy: 1.4970617845115197
Energy: 1.6853507691756604
Energy: 1.517445407476851
Energy: 1.5271560537804754
Energy: 1.497929059773097
Energy: 1.5271560537812094
Energy: 1.5183166028034252
Energy: 1.647491556375051
Energy: 1.5729707791116294
Energy: 1.6474915563757853
Energy: 1.518017442100395
Energy: 1.561898274851558
Energy: 1.5740652051045025
Energy: 1.561898274857433
Energy: 1.517847213102321
Energy: 1.5627230217127235
Energy: 1.5737346120810922
Energy: 1.5627230217017078
Energy: 1.5183606464991357
Energy: 1.6476476794367474
Energy: 1.5738850360447436
Energy: 1.6476476794286696
Energy: 1.5173558154901234
Energy: 1.5271012356109008
Energy: 1.4981172889145788
Energy: 1.5271012356123697
Energy: 1.518398436856867
Energy: 1.68523672535755
Energy: 1.4968553172256094
Energy: 1.6852367253604876
Energy: 1.5312344139913698
Energy: 1.528263203415187
Energy: 1.4978736011023854
Energy: 1.5282632034012342
Energy: 2.2231646755075296
Energy: 1.685171397872385
Energy: 1.4966515421777307
Energy: 1.6851713978731195
Energy: 1.607213473541716
Energy: 1.5589606688521214
Energy: 1.4979069026945897
Energy: 1.5589606688499182
Energy: 1.5520908269619793
Energy: 1.6858696999068086
Energy: 1.4959683514612918
Energy: 1.685869699909746
Energy: 1.5309725561343692
Energy: 1.6824535842979158
Energy: 1.4988908958691534
Energy: 1.6824535842935096
Energy: 1.9220113631456048
Energy: 1.685598600904378
Energy: 1.4952404724749646
Energy: 1.6855986009007062
Energy: 1.5312567756029354
Energy: 1.648313980940615
Energy: 1.8742975476122319
Energy: 1.6483139809391465
Energy: 1.4781604231955385
Energy: 1.571278033006442
Energy: 1.5523792231205258
Energy: 1.5712780330049734
Energy: 1.531026149438061
Energy: 1.6481141037010136
Energy: 2.222926678720603
Energy: 1.6481141036664984
Energy: 1.4973298984524144
Energy: 1.5721084773646763
Energy: 1.552319175816686
Energy: 1.5721084773632077
Energy: 1.5308660465960948
Energy: 1.6463161303962988
Energy: 1.564271601703694
Energy: 1.646316130397033
Energy: 1.5271021270332956
Energy: 1.5711851954077616
Energy: 1.495069827776745
Energy: 1.5711851954114335

minimum gb energy = 1.4781604231955385 eV
minimum distance =  2.26645496295011 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.466061233586771
Energy: 1.4626009488191127
Energy: 1.343445483821297
Energy: 1.4626009488191127
Energy: 1.4254677342532889
Energy: 1.462266962795111
Energy: 1.3678469491609773
Energy: 1.4622669627938476
Energy: 1.4114500341123675
Energy: 1.6438943402017654
Energy: 1.3471210109407767
Energy: 1.6438943402017654
Energy: 1.3655255168475493
Energy: 1.4625104055334261
Energy: 1.368299764468173
Energy: 1.4625104055334261
Energy: 1.3715574477925552
Energy: 1.461691207416959
Energy: 1.3653259817037573
Energy: 1.461691207416959
Energy: 1.3424444375641884
Energy: 1.4622169183305747
Energy: 1.3692885219974693
Energy: 1.4622169183305747
Energy: 1.4111899805855115
Energy: 1.534509155815806
Energy: 1.4247720028454747
Energy: 1.5345091558195962
Energy: 1.365195276469873
Energy: 1.463784302515397
Energy: 1.4612947797048212
Energy: 1.463784302515397
Energy: 1.3717649536727563
Energy: 1.461617294152313
Energy: 1.4253530359184723
Energy: 1.461617294152313
Energy: 2.091797071604467
Energy: 1.6294870323858155
Energy: 1.3695698851460736
Energy: 1.6294870323858155
Energy: 1.411775927695863
Energy: 1.533164569729112
Energy: 1.3653674487677723
Energy: 1.5331645697265852
Energy: 2.1272015181579436
Energy: 1.4631304868868584
Energy: 1.3685246160532423
Energy: 1.4631304868881219
Energy: 1.3646596104973168
Energy: 1.4616662340027302
Energy: 1.3420051393124441
Energy: 1.4616662340039934
Energy: 1.9793144950007953
Energy: 1.5337462923606577
Energy: 1.3684881105829845
Energy: 1.5337462923606577
Energy: 1.461723746469865
Energy: 1.5348904625860853
Energy: 1.3652580135970678
Energy: 1.534890462587349
Energy: 1.4614561438051499
Energy: 1.462776043893541
Energy: 1.37516010455685
Energy: 1.4627760438922777
Energy: 1.3647478848026737
Energy: 1.6279865375649771
Energy: 1.341502782961521
Energy: 1.6279865375649771
Energy: 1.3683268158882105
Energy: 1.535552985406753
Energy: 1.3685428384279958
Energy: 1.5355529854080165
Energy: 1.3670832304985954
Energy: 1.4664422781621507
Energy: 1.3645585666449862
Energy: 1.466442278160916
Energy: 1.3728886961709519
Energy: 1.4628081899748835
Energy: 1.3717593726319564
Energy: 1.4628081899748835

minimum gb energy = 1.341502782961521 eV
minimum distance =  2.27023878396277 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.30866527908324
Energy: 1.2269058098449148
Energy: 1.1657265069770315
Energy: 1.2269058098459014
Energy: 1.721132616581729
Energy: 1.2630160749087214
Energy: 1.2321689958746394
Energy: 1.2630160749067483
Energy: 1.224896103044606
Energy: 1.2236465267801102
Energy: 1.1629961227037693
Energy: 1.2236465267801102
Energy: 1.1953824915133644
Energy: 1.2624774890587416
Energy: 1.2321430501311423
Energy: 1.262477489057755
Energy: 1.2308002790929105
Energy: 1.2634624238981298
Energy: 1.1750616860770087
Energy: 1.2634624238981298
Energy: 1.173565406033248
Energy: 1.2635537471333629
Energy: 1.2320308956624193
Energy: 1.2635537471323763
Energy: 1.225243850752182
Energy: 1.2230122683379063
Energy: 1.2062592803551568
Energy: 1.2230122683379063
Energy: 1.1608183948412487
Energy: 1.3059327773638805
Energy: 1.2264268576583148
Energy: 1.305932777364867
Energy: 1.231055746221079
Energy: 1.2637394218331381
Energy: 1.7205045575212423
Energy: 1.263739421834125
Energy: 1.173480058760303
Energy: 1.2239565626530424
Energy: 1.310421354793566
Energy: 1.2239565626530424
Energy: 1.2351128399380058
Energy: 1.223238070394949
Energy: 2.1845589127331664
Energy: 1.223238070394949
Energy: 1.7727078848537978
Energy: 1.3095424803330757
Energy: 1.2267418276317092
Energy: 1.3095424803340623
Energy: 1.2310409471799948
Energy: 1.2634947397972764
Energy: 1.685146484346843
Energy: 1.2634947397992495
Energy: 1.7995102668932788
Energy: 1.2231164029008132
Energy: 1.2323884446559115
Energy: 1.2231164029008132
Energy: 1.2353989396822211
Energy: 1.2230763541926772
Energy: 1.177144546837728
Energy: 1.2230763541946506
Energy: 1.7896859654205817
Energy: 1.4387705462600044
Energy: 1.2258852890453715
Energy: 1.438770546273817
Energy: 1.2309397104185724
Energy: 1.3054755871378798
Energy: 1.160194519265891
Energy: 1.3054755871368933
Energy: 1.7356154372671428
Energy: 1.2626286754849982
Energy: 1.2323143897549942
Energy: 1.2626286754859848
Energy: 1.3146976742619014
Energy: 1.2233895751996247
Energy: 1.1762589270263473
Energy: 1.2233895752006112
Energy: 2.1827103750160917
Energy: 1.4446391939233907
Energy: 1.2258475904418134
Energy: 1.4446391939233907
Energy: 1.2308998688633292
Energy: 1.3052462004637972
Energy: 1.1601482330585358
Energy: 1.3052462004647838
Energy: 1.2236469556029943
Energy: 1.2632894803108732
Energy: 1.232469277980142
Energy: 1.2632894803108732
Energy: 1.2250603680442056
Energy: 1.2230411132073327
Energy: 1.8108771614284238
Energy: 1.2230411132191719
Energy: 1.1808659241041295
Energy: 1.4442591132385305
Energy: 1.2259363947728268
Energy: 1.4442591132385305
Energy: 1.230073070606986
Energy: 1.4388668385594947
Energy: 1.7874424042693675
Energy: 1.438866838563441
Energy: 1.1729692031175352
Energy: 1.3059907752577147
Energy: 1.2323182434391626
Energy: 1.3059907752636342

minimum gb energy = 1.1601482330585358 eV
minimum distance =  2.27343095194804 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.9284416202965158
Energy: 1.1162138446515009
Energy: 1.03538157018347
Energy: 1.1162138446515009
Energy: 1.9133887268425385
Energy: 1.08911409354647
Energy: 1.071115108117373
Energy: 1.0891140935448524
Energy: 1.1160487862560056
Energy: 1.0671357324221993
Energy: 1.0372973061623136
Energy: 1.067135732418964
Energy: 1.4849271599574942
Energy: 1.090848709912331
Energy: 1.0713297589828787
Energy: 1.090848709912331
Energy: 1.0663364811780605
Energy: 1.1471144199932704
Energy: 1.0417692118908437
Energy: 1.1471144199924614
Energy: 1.0557269041427164
Energy: 1.0907683208982328
Energy: 1.0710115765754449
Energy: 1.0907683208974241
Energy: 1.0702727666141212
Energy: 1.0894737607137752
Energy: 1.0567502621327085
Energy: 1.0894737607121574
Energy: 1.041942106514221
Energy: 1.116093293070523
Energy: 1.067331388425933
Energy: 1.116093293060817
Energy: 1.0738526691537003
Energy: 1.116552298450809
Energy: 1.4881530085636268
Energy: 1.116552298450809
Energy: 1.035888460951656
Energy: 1.0680642818972057
Energy: 1.1168757352351262
Energy: 1.0680642818963968
Energy: 1.07020805150379
Energy: 1.0895963756442355
Energy: 2.2697556037398323
Energy: 1.089596375642618
Energy: 1.0420861916493136
Energy: 1.116922902743447
Energy: 1.927994300211558
Energy: 1.116922902743447
Energy: 1.0738270444716052
Energy: 1.1168892719138979
Energy: 2.2690831957258197
Energy: 1.1168892718839707
Energy: 1.550074556046334
Energy: 1.2317547911306028
Energy: 1.1171345233070313
Energy: 1.2317547911314117
Energy: 1.0703613888400632
Energy: 1.0895125832227204
Energy: 1.8897732269693939
Energy: 1.0895125832211028
Energy: 1.5655003358271171
Energy: 1.11797681923313
Energy: 1.0672105238821232
Energy: 1.11797681923313
Energy: 1.0737942716285196
Energy: 1.1152449128295798
Energy: 1.4596928609294566
Energy: 1.1152449128368593
Energy: 1.5679036540267721
Energy: 1.23236067268275
Energy: 1.071311609217199
Energy: 1.2323606726819412
Energy: 1.0701363447337557
Energy: 1.1158997123873993
Energy: 1.039767787225195
Energy: 1.1158997123882082
Energy: 1.5910445390429033
Energy: 1.116501957828524
Energy: 1.0675078756471494
Energy: 1.116501957826943
Energy: 1.119748381544459
Energy: 1.1147352964127843
Energy: 1.0330856956059762
Energy: 1.1147352964103578
Energy: 2.268950883445114
Energy: 1.1459535194140862
Energy: 1.0713182369823757
Energy: 1.1459535194051886
Energy: 1.9223347408373843
Energy: 1.114886605413934
Energy: 1.0394456956682405
Energy: 1.114886605413934
Energy: 1.9302997356575853
Energy: 1.1145148617980651
Energy: 1.0674538240188998
Energy: 1.1145148617867415
Energy: 1.119797303321741
Energy: 1.2284725526729143
Energy: 1.0266090728043613
Energy: 1.2284725526696791
Energy: 1.8898771977326363
Energy: 1.1457583230562498
Energy: 1.07134238626319
Energy: 1.1457583230311759
Energy: 1.0704160505421565
Energy: 1.1145895757507591
Energy: 1.5643565096676713
Energy: 1.1145895757491413
Energy: 1.0815316579852847
Energy: 1.1146766847248724
Energy: 1.067821852621933
Energy: 1.1146766847321519
Energy: 1.074020793094267
Energy: 1.2288089619295748
Energy: 1.565556546339562
Energy: 1.2288089619287659
Energy: 1.044026920845742
Energy: 1.183366811975153
Energy: 1.0747210856915106
Energy: 1.1833668119743443
Energy: 1.0697303945675543
Energy: 1.1150571154866182
Energy: 1.58891808993916
Energy: 1.1150571154882358
Energy: 1.0414320833187343
Energy: 1.1146527186646706
Energy: 1.1239350246243576
Energy: 1.114652718667906

minimum gb energy = 1.0266090728043613 eV
minimum distance =  2.26834311168395 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.7280270140219278
Energy: 0.9906854055433997
Energy: 0.9443947041406221
Energy: 0.9906854055399736
Energy: 2.015009456974985
Energy: 0.9859379339662343
Energy: 0.9880533800090601
Energy: 0.9859379339566414
Energy: 1.0273492515912876
Energy: 0.9852580502764593
Energy: 0.9385243155259336
Energy: 0.9852580502764593
Energy: 1.6883091008132514
Energy: 0.9861536115430327
Energy: 0.988133046183868
Energy: 0.9861536115354954
Energy: 0.9844776906306844
Energy: 0.9886091177233939
Energy: 1.4569160817178144
Energy: 0.9886091177699874
Energy: 1.3206629571210073
Energy: 0.9873091197818289
Energy: 0.9880646746058949
Energy: 0.9873091197818289
Energy: 0.9873254422331135
Energy: 1.0054327688769087
Energy: 0.9528238876759587
Energy: 1.0054327688700566
Energy: 0.9522643142441009
Energy: 1.006279249571752
Energy: 0.9880232101392611
Energy: 1.006279249571752
Energy: 0.9898784052281977
Energy: 1.0079090029647693
Energy: 1.3217270805498949
Energy: 1.0079090029654545
Energy: 0.9445663732041405
Energy: 0.9872309086613817
Energy: 0.9851251421524022
Energy: 0.9872309086572705
Energy: 0.9874659598516529
Energy: 0.9856203352853101
Energy: 1.688312300272333
Energy: 0.9856203352859952
Energy: 0.9423199312046312
Energy: 0.9857025379532539
Energy: 1.027940798776685
Energy: 0.985702537953939
Energy: 0.9900876426088815
Energy: 1.0078470975163887
Energy: 2.0139283409059963
Energy: 1.0078470975074811
Energy: 0.9447319641547304
Energy: 0.9863013928321444
Energy: 1.723949986619333
Energy: 0.9863013928218664
Energy: 0.9875015736194509
Energy: 0.9855340426339801
Energy: 2.3293498317786048
Energy: 0.9855340426326099
Energy: 1.3857629069816422
Energy: 0.9855073559628397
Energy: 1.0278951978010855
Energy: 0.9855073559635249
Energy: 0.9900794742292001
Energy: 1.0064282020817754
Energy: 1.9980650357497336
Energy: 1.0064282020982203
Energy: 1.3948086732021552
Energy: 0.9850852027063072
Energy: 0.9853612835980923
Energy: 0.9850852027042517
Energy: 0.9877356703060108
Energy: 0.9852995367932986
Energy: 1.6719105854252447
Energy: 0.9852995367898727
Energy: 1.39300117084619
Energy: 0.9865884772746605
Energy: 0.9880453954729688
Energy: 0.9865884772719197
Energy: 0.989996304049227
Energy: 1.0269653829282253
Energy: 1.3066571916036758
Energy: 1.026965382924799
Energy: 1.409694752850051
Energy: 1.0054233488860167
Energy: 0.9929587199025071
Energy: 1.0054233488867017
Energy: 0.9875205473529718
Energy: 0.9855442617341487
Energy: 0.9408981612184584
Energy: 0.9855442617362042
Energy: 1.9973092593238078
Energy: 0.9872576370022202
Energy: 0.9882185870185503
Energy: 0.9872576370022202
Energy: 1.0299646873284036
Energy: 1.0272637935480913
Energy: 0.9385687380138357
Energy: 1.0272637935467208
Energy: 2.0271417515599666
Energy: 1.0056564916269912
Energy: 0.9929763006139251
Energy: 1.0056564916324726
Energy: 1.722819611564853
Energy: 0.9855344832049167
Energy: 0.9416044726527254
Energy: 0.985534483209713
Energy: 2.3248067652390834
Energy: 0.986187744153686
Energy: 0.988258873631732
Energy: 0.9861877441550563
Energy: 1.030029247116379
Energy: 1.0261835042958367
Energy: 0.9335520955595353
Energy: 1.0261835048294201
Energy: 1.6990260525977392
Energy: 1.005830307474166
Energy: 0.9929149207025396
Energy: 1.0058303074721104
Energy: 0.9873864204344426
Energy: 0.9844882792768537
Energy: 1.3923462470787336
Energy: 0.9844882792693166
Energy: 1.6730938860924829
Energy: 0.9855299598837428
Energy: 0.9883992346292677
Energy: 0.9855299599282809
Energy: 0.9900759243505158
Energy: 1.026404919666606
Energy: 1.3972323919820777
Energy: 1.0264049196268643
Energy: 0.9587033937676321
Energy: 1.0270304066235858
Energy: 0.9930752854024575
Energy: 1.0270304066242708
Energy: 0.9757967137188882
Energy: 0.9845452929867693
Energy: 1.4153299479381838
Energy: 0.9845452929771766
Energy: 0.9384033320795853
Energy: 0.9851387566498163
Energy: 0.9903378289310841
Energy: 0.9851387566518721
Energy: 0.9903032987971279
Energy: 1.1215674453941258
Energy: 2.072525017832578
Energy: 1.1215674453920703

minimum gb energy = 0.9335520955595353 eV
minimum distance =  2.26621259344775 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.7715328913469721
Energy: 0.9877101141178859
Energy: 1.093375770131053
Energy: 0.9877101141202631
Energy: 2.2437334037952565
Energy: 0.9693586833124616
Energy: 0.9082845478020131
Energy: 0.9693586833106789
Energy: 1.7145433493536857
Energy: 0.9815590797635408
Energy: 0.2985207779627153
Energy: 0.9815590797635408
Energy: 1.9577630378805517
Energy: 0.9636136756706561
Energy: 0.9088535045799676
Energy: 0.9636136756718449
Energy: 1.1381001527617416
Energy: 0.9217403140992722
Energy: 0.8183493811639587
Energy: 0.9217403140998663
Energy: 1.6714298333536073
Energy: 0.9806233846251018
Energy: 0.9080724833280245
Energy: 0.9806233846251018
Energy: 1.0815053019940801
Energy: 0.9965314407626289
Energy: 1.0297895494196292
Energy: 0.9965314407626289
Energy: 1.3388472314971933
Energy: 0.9628528318858663
Energy: 0.9225668516040667
Energy: 0.9628528318852722
Energy: 0.9214107461313916
Energy: 0.9346702523980546
Energy: 1.3645496926527205
Energy: 0.9346702523921119
Energy: 1.315622911606373
Energy: 0.9804480754698972
Energy: 1.0730836001778483
Energy: 0.9804480754704915
Energy: 0.9105155218595706
Energy: 0.9632505258550911
Energy: 1.67215464604084
Energy: 0.9632505258556854
Energy: 0.9975424492640949
Energy: 0.9709315298277258
Energy: 1.129787060773714
Energy: 0.9709315298277258
Energy: 0.9077995383796571
Energy: 0.9327108808642087
Energy: 1.9587782268636
Energy: 0.9327108808642087
Energy: 0.8318737475943729
Energy: 0.9818639293529374
Energy: 1.7016126261638784
Energy: 0.9818639293523432
Energy: 0.9099130465976294
Energy: 0.963447011027004
Energy: 2.49055597088235
Energy: 0.9634470110281925
Energy: 0.833180925408278
Energy: 0.9686501505371988
Energy: 1.610981197535165
Energy: 0.9686501505377932
Energy: 0.9075175009544224
Energy: 0.934116765364043
Energy: 2.3464248616284666
Energy: 0.934116765364043
Energy: 1.2205667373828382
Energy: 0.9818571714634793
Energy: 1.7014865263849637
Energy: 0.9818571714640736
Energy: 0.9097015976082918
Energy: 0.9644348866280916
Energy: 2.2028712440833744
Energy: 0.9644348866292802
Energy: 1.2381253732445068
Energy: 0.96588503873138
Energy: 1.129718468394489
Energy: 0.9658850387319743
Energy: 0.9087961982291158
Energy: 0.9482326455053609
Energy: 1.9132520878274557
Energy: 0.9482326455059552
Energy: 1.395767482722543
Energy: 0.9635107501570217
Energy: 1.0728825136843159
Energy: 0.9635107501593989
Energy: 0.923602670228153
Energy: 0.9621209550450267
Energy: 1.620753266254231
Energy: 0.962120955045621
Energy: 1.4233233248159178
Energy: 0.9945623556479413
Energy: 0.9232611265315597
Energy: 0.994562355651507
Energy: 1.0740428776044302
Energy: 0.962425878392737
Energy: 1.316648848250566
Energy: 0.9624258783938984
Energy: 1.6737063770886913
Energy: 0.9635305729695578
Energy: 0.9115735973797778
Energy: 0.9635305729630208
Energy: 1.1299857584484354
Energy: 0.962077538533982
Energy: 0.9950533856746488
Energy: 0.962077538533982
Energy: 1.9484758240798172
Energy: 0.994664002455859
Energy: 0.9084503412751278
Energy: 0.9946640024552647
Energy: 1.7019429281648881
Energy: 0.9793053570047359
Energy: 0.8285245232785234
Energy: 0.9793053570065188
Energy: 2.4902342430982807
Energy: 0.9638230384028401
Energy: 0.9087055336648705
Energy: 0.9638230384040287
Energy: 1.7596819584593377
Energy: 0.9792879103229281
Energy: 0.8304635713375059
Energy: 0.9792879103253053
Energy: 2.2391070689994605
Energy: 0.9945075673726093
Energy: 0.9081437854111695
Energy: 0.9945075673714208
Energy: 1.7017469920927724
Energy: 0.9788501667034256
Energy: 0.8283649071284563
Energy: 0.9788501666986715
Energy: 2.2028484506762953
Energy: 0.961885920769567
Energy: 0.9084510450035849
Energy: 0.9618859207713498
Energy: 1.1301954732904995
Energy: 0.9617000960040277
Energy: 1.239400969927834
Energy: 0.9617000960224231
Energy: 1.6550524999313452
Energy: 1.0117289123115054
Energy: 0.9103436411420368
Energy: 1.0117289123120998
Energy: 1.0740090724129738
Energy: 0.9616742157147364
Energy: 1.3940921083391247
Energy: 0.9616742157147364
Energy: 1.6206921944805177
Energy: 0.9617529104191068
Energy: 0.9208159448271473
Energy: 0.9617529104197011
Energy: 0.9236248776408271
Energy: 0.961862243253192
Energy: 1.4234306309388474
Energy: 0.9618622432514091
Energy: 1.0254774499085453
Energy: 1.0274308628092446
Energy: 1.074756041265249
Energy: 1.027430862808056
Energy: 0.9064099870383199
Energy: 0.9615519372039727
Energy: 1.9948772514304975
Energy: 0.9615519372051613
Energy: 0.9949858244003034
Energy: 0.9617364269759335
Energy: 1.1310501982922598
Energy: 0.9617364269759335
Energy: 0.9102035773278313
Energy: 0.9619336735856155
Energy: 2.0184568238872247
Energy: 0.9619336735559018

minimum gb energy = 0.2985207779627153 eV
minimum distance =  2.27931999245476 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.0177822020907962
Energy: 0.01959722579829246
Energy: 1.1289534420880682
Energy: 0.019597225799180773
Energy: 1.1293914099470441
Energy: 0.3982225392087285
Energy: 0.39775046920163637
Energy: 0.39822253920918543
Energy: 0.0177822020907962
Energy: 0.019597225797835613
Energy: 1.1289760922909802
Energy: 0.01959722579961224
Energy: 1.1293914099470441
Energy: 0.39822253920784023
Energy: 0.3977504692012049
Energy: 0.3982225392087285
Energy: 0.0177822020907962
Energy: 0.019597225797835613
Energy: 1.128984172264357
Energy: 0.019597225798723923
Energy: 1.1293914099475009
Energy: 0.39822253920784023
Energy: 0.3977504692025246
Energy: 0.3982225392087285

minimum gb energy = 0.0177822020907962 eV
minimum distance =  2.50622628535607 Angstroms
sigma value = 1